OpenRaiser/Intern-Atlas huggingface dataset:
Tailored-LLaMA: Optimizing Few-Shot Learning in Pruned LLaMA Models with Task-Specific Prompts
Venue: arXiv cs.AI 2025
Year: 2025

Large language models demonstrate impressive proficiency in language understanding and generation. Nonetheless, training these models from scratch, even the least complex billion-parameter variant demands significant computational resources rendering it economically impractical for many organizations. With large language models functioning as general-purpose task solvers, this paper investigates their task-specific fine-tuning. We employ task-specific datasets and prompts to fine-tune two pruned LLaMA models having 5 billion and 4 billion parameters. This process utilizes the pre-trained weights and focuses on a subset of weights using the LoRA method. One challenge in fine-tuning the LLaMA model is crafting a precise prompt tailored to the specific task. To address this, we propose a novel approach to fine-tune the LLaMA model under two primary constraints: task specificity and prompt effectiveness. Our approach, Tailored LLaMA initially employs structural pruning to reduce the model sizes from 7B to 5B and 4B parameters. Subsequently, it applies a carefully designed prompt specific to the task and utilizes the LoRA method to accelerate the fine-tuning process. Moreover, fine-tuning a model pruned by 50\% for less than one hour restores the mean accuracy of classification tasks to 95.68\% at a 20\% compression ratio and to 86.54\% at a 50\% compression ratio through few-shot learning with 50 shots. Our validation of Tailored LLaMA on these two pruned variants demonstrates that even when compressed to 50\%, the models maintain over 65\% of the baseline model accuracy in few-shot classification and generation tasks. These findings highlight the efficacy of our tailored approach in maintaining high performance with significantly reduced model sizes.
Designing AI-Agents with Personalities: A Psychometric Approach
Venue: arXiv cs.AI 2025
Year: 2025

We introduce a methodology for assigning quantifiable and psychometrically validated personalities to AI-Agents using the Big Five framework. Across three studies, we evaluate its feasibility and limitations. In Study 1, we show that large language models (LLMs) capture semantic similarities among Big Five measures, providing a basis for personality assignment. In Study 2, we create AI-Agents using prompts designed based on the Big Five Inventory-2 (BFI-2) in different format, and find that AI-Agents powered by new models align more closely with human responses on the Mini-Markers test, although the finer pattern of results (e.g., factor loading patterns) were sometimes inconsistent. In Study 3, we validate our AI-Agents on risk-taking and moral dilemma vignettes, finding that models prompted with the BFI-2-Expanded format most closely reproduce human personality-decision associations, while safety-aligned models generally inflate 'moral' ratings. Overall, our results show that AI-Agents align with humans in correlations between input Big Five traits and output responses and may serve as useful tools for preliminary research. Nevertheless, discrepancies in finer response patterns indicate that AI-Agents cannot (yet) fully substitute for human participants in precision or high-stakes projects.
On the Weight Spectrum of Rate-Compatible Polar Codes
Venue: arXiv cs.IT 2025
Year: 2025

The weight spectrum plays a crucial role in the performance of error-correcting codes. Despite substantial theoretical exploration of polar codes with mother code length, a framework for the weight spectrum of rate-compatible polar codes remains elusive. In this paper, we address this gap by presenting the theoretical results for enumerating the number of minimum-weight codewords for quasi-uniform punctured, Wang-Liu shortened, and bit-reversal shortened decreasing polar codes. Additionally, we propose efficient algorithms for computing the average spectrum of random upper-triangular pre-transformed shortened and punctured polar codes. Notably, our algorithms operate with polynomial complexity relative to the code length. Simulation results affirm that our findings yield a precise estimation of the performance of rate-compatible polar codes.
MaCTG: Multi-Agent Collaborative Thought Graph for Automatic Programming
Venue: arXiv cs.SE 2025
Year: 2025

With the rapid advancement of Large Language Models (LLMs), LLM-based approaches have demonstrated strong problem-solving capabilities across various domains. However, in automatic programming, a single LLM is typically limited to function-level code generation, while multi-agent systems composed of multiple LLMs often suffer from inefficient task planning. This lack of structured coordination can lead to cascading hallucinations, where accumulated errors across agents result in suboptimal workflows and excessive computational costs. To overcome these challenges, we introduce MaCTG (Multi-Agent Collaborative Thought Graph), a novel multi-agent framework that employs a dynamic graph structure to facilitate precise task allocation and controlled collaboration among LLM agents. MaCTG autonomously assigns agent roles based on programming requirements, dynamically refines task distribution through context-aware adjustments, and systematically verifies and integrates project-level code, effectively reducing hallucination errors and improving overall accuracy. MaCTG enhances cost-effectiveness by implementing a hybrid LLM deployment, where proprietary models handle complex reasoning, while open-source models are used for routine coding and validation tasks. To evaluate MaCTG's effectiveness, we applied it to traditional image processing auto-programming tasks, achieving a state-of-the-art accuracy of 83.33%. Additionally, by leveraging its hybrid LLM configuration, MaCTG significantly reduced operational costs by 89.09% compared to existing multi-agent frameworks, demonstrating its efficiency, scalability, and real-world applicability.
A Survey of Deep Graph Learning under Distribution Shifts: from Graph Out-of-Distribution Generalization to Adaptation
Venue: arXiv cs.LG 2025
Year: 2025

Distribution shifts on graphs -- the discrepancies in data distribution between training and employing a graph machine learning model -- are ubiquitous and often unavoidable in real-world scenarios. These shifts may severely deteriorate model performance, posing significant challenges for reliable graph machine learning. Consequently, there has been a surge in research on graph machine learning under distribution shifts, aiming to train models to achieve satisfactory performance on out-of-distribution (OOD) test data. In our survey, we provide an up-to-date and forward-looking review of deep graph learning under distribution shifts. Specifically, we cover three primary scenarios: graph OOD generalization, training-time graph OOD adaptation, and test-time graph OOD adaptation. We begin by formally formulating the problems and discussing various types of distribution shifts that can affect graph learning, such as covariate shifts and concept shifts. To provide a better understanding of the literature, we introduce a systematic taxonomy that classifies existing methods into model-centric and data-centric approaches, investigating the techniques used in each category. We also summarize commonly used datasets in this research area to facilitate further investigation. Finally, we point out promising research directions and the corresponding challenges to encourage further study in this vital domain. We also provide a continuously updated reading list at https://github.com/kaize0409/Awesome-Graph-OOD.
The Impact of Train-Test Leakage on Machine Learning-based Android Malware Detection
Venue: arXiv cs.CR 2025
Year: 2025

When machine learning is used for Android malware detection, an app needs to be represented in a numerical format for training and testing. We identify a widespread occurrence of distinct Android apps that have identical or nearly identical app representations. In particular, among app samples in the testing dataset, there can be a significant percentage of apps that have an identical or nearly identical representation to an app in the training dataset. This will lead to a data leakage problem that inflates a machine learning model's performance as measured on the testing dataset. The data leakage not only could lead to overly optimistic perceptions on the machine learning models' ability to generalize beyond the data on which they are trained, in some cases it could also lead to qualitatively different conclusions being drawn from the research. We present two case studies to illustrate this impact. In the first case study, the data leakage inflated the performance results but did not impact the overall conclusions made by the researchers in a qualitative way. In the second case study, the data leakage problem would have led to qualitatively different conclusions being drawn from the research. We further examine the real-world impact of the data leakage by dissecting the capability of memorization and the capability of generalization of a machine learning model, and show that by removing leakage from testing data, the evaluation results better reflect the machine learning model's utility in real-world Android malware detection scenarios.
Learning Neural Strategy-Proof Matching Mechanism from Examples
Venue: arXiv cs.AI 2025
Year: 2025

Designing two-sided matching mechanisms is challenging when practical demands for matching outcomes are difficult to formalize and the designed mechanism must satisfy theoretical conditions. To address this, prior work has proposed a framework that learns a matching mechanism from examples, using a parameterized family that satisfies properties such as stability. However, despite its usefulness, this framework does not guarantee strategy-proofness (SP), and cannot handle varying numbers of agents or incorporate publicly available contextual information about agents, both of which are crucial in real-world applications. In this paper, we propose a new parametrized family of matching mechanisms that always satisfy strategy-proofness, are applicable for an arbitrary number of agents, and deal with public contextual information of agents, based on the serial dictatorship (SD). This family is represented by NeuralSD, a novel neural network architecture based on SD, where agent rankings in SD are treated as learnable parameters computed from agents' contexts using an attention-based sub-network. To enable learning, we introduce tensor serial dictatorship (TSD), a differentiable relaxation of SD using tensor operations. This allows NeuralSD to be trained end-to-end from example matchings while satisfying SP. We conducted experiments to learn a matching mechanism from matching examples while satisfying SP. We demonstrated that our method outperformed baselines in predicting matchings and on several metrics for goodness of matching outcomes.
A Robust and Efficient Visual-Inertial Initialization with Probabilistic Normal Epipolar Constraint
Venue: arXiv cs.RO 2025
Year: 2025

Accurate and robust initialization is essential for Visual-Inertial Odometry (VIO), as poor initialization can severely degrade pose accuracy. During initialization, it is crucial to estimate parameters such as accelerometer bias, gyroscope bias, initial velocity, gravity, etc. Most existing VIO initialization methods adopt Structure from Motion (SfM) to solve for gyroscope bias. However, SfM is not stable and efficient enough in fast-motion or degenerate scenes. To overcome these limitations, we extended the rotation-translation-decoupled framework by adding new uncertainty parameters and optimization modules. First, we adopt a gyroscope bias estimator that incorporates probabilistic normal epipolar constraints. Second, we fuse IMU and visual measurements to solve for velocity, gravity, and scale efficiently. Finally, we design an additional refinement module that effectively reduces gravity and scale errors. Extensive EuRoC dataset tests show that our method reduces gyroscope bias and rotation errors by 16\% and 4\% on average, and gravity error by 29\% on average. On the TUM dataset, our method reduces the gravity error and scale error by 14.2\% and 5.7\% on average respectively. The source code is available at https://github.com/MUCS714/DRT-PNEC.git
TRADE: Transfer of Distributions between External Conditions with Normalizing Flows
Venue: arXiv cs.LG 2025
Year: 2025

Modeling distributions that depend on external control parameters is a common scenario in diverse applications like molecular simulations, where system properties like temperature affect molecular configurations. Despite the relevance of these applications, existing solutions are unsatisfactory as they require severely restricted model architectures or rely on energy-based training, which is prone to instability. We introduce TRADE, which overcomes these limitations by formulating the learning process as a boundary value problem. By initially training the model for a specific condition using either i.i.d.~samples or backward KL training, we establish a boundary distribution. We then propagate this information across other conditions using the gradient of the unnormalized density with respect to the external parameter. This formulation, akin to the principles of physics-informed neural networks, allows us to efficiently learn parameter-dependent distributions without restrictive assumptions. Experimentally, we demonstrate that TRADE achieves excellent results in a wide range of applications, ranging from Bayesian inference and molecular simulations to physical lattice models.
Hybrid Memetic Search for Electric Vehicle Routing with Time Windows, Simultaneous Pickup-Delivery, and Partial Recharges
Venue: arXiv cs.NE 2025
Year: 2025

With growing environmental concerns, electric vehicles for logistics have gained significant attention within the computational intelligence community in recent years. This work addresses an emerging and significant extension of the electric vehicle routing problem (EVRP), namely EVRP with time windows, simultaneous pickup-delivery, and partial recharges (EVRP-TW-SPD), which has widespread real-world applications. We propose a hybrid memetic algorithm (HMA) for solving EVRP-TW-SPD. HMA incorporates two novel components: a parallel-sequential station insertion (PSSI) procedure for handling partial recharges that can better avoid local optima compared to purely sequential insertion, and a cross-domain neighborhood search (CDNS) that explores solution spaces of both electric and non-electric problem domains simultaneously. These components can also be easily applied to various EVRP variants. To bridge the gap between existing benchmarks and real-world scenarios, we introduce a new, large-scale EVRP-TW-SPD benchmark set derived from real-world applications, containing instances with many more customers and charging stations than existing benchmark instances. Extensive experiments demonstrate the significant performance advantages of HMA over existing algorithms across a wide range of problem instances. Both the benchmark set and HMA are to be made open-source to facilitate further research in this area.
Impact of Leakage on Data Harmonization in Machine Learning Pipelines in Class Imbalance Across Sites
Venue: arXiv cs.LG 2025
Year: 2025

Machine learning (ML) models benefit from large datasets. Collecting data in biomedical domains is costly and challenging, hence, combining datasets has become a common practice. However, datasets obtained under different conditions could present undesired site-specific variability. Data harmonization methods aim to remove site-specific variance while retaining biologically relevant information. This study evaluates the effectiveness of popularly used ComBat-based methods for harmonizing data in scenarios where the class balance is not equal across sites. We find that these methods struggle with data leakage issues. To overcome this problem, we propose a novel approach PrettYharmonize, designed to harmonize data by pretending the target labels. We validate our approach using controlled datasets designed to benchmark the utility of harmonization. Finally, using real-world MRI and clinical data, we compare leakage-prone methods with PrettYharmonize and show that it achieves comparable performance while avoiding data leakage, particularly in site-target-dependence scenarios.
Learning the Regularization Strength for Deep Fine-Tuning via a Data-Emphasized Variational Objective
Venue: arXiv cs.LG 2025
Year: 2025

A number of popular transfer learning methods rely on grid search to select regularization hyperparameters that control over-fitting. This grid search requirement has several key disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the size of available data for model training, and requires practitioners to specify candidate values. In this paper, we propose an alternative to grid search: directly learning regularization hyperparameters on the full training set via model selection techniques based on the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we specifically recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior while remaining a valid bound on the evidence for Bayesian model selection. Our proposed technique overcomes all three disadvantages of grid search. We demonstrate effectiveness on image classification tasks on several datasets, yielding heldout accuracy comparable to existing approaches with far less compute time.
Deep Learning and Machine Learning -- Python Data Structures and Mathematics Fundamental: From Theory to Practice
Venue: arXiv cs.LG 2025
Year: 2025

This book provides a comprehensive introduction to the foundational concepts of machine learning (ML) and deep learning (DL). It bridges the gap between theoretical mathematics and practical application, focusing on Python as the primary programming language for implementing key algorithms and data structures. The book covers a wide range of topics, including basic and advanced Python programming, fundamental mathematical operations, matrix operations, linear algebra, and optimization techniques crucial for training ML and DL models. Advanced subjects like neural networks, optimization algorithms, and frequency domain methods are also explored, along with real-world applications of large language models (LLMs) and artificial intelligence (AI) in big data management. Designed for both beginners and advanced learners, the book emphasizes the critical role of mathematical principles in developing scalable AI solutions. Practical examples and Python code are provided throughout, ensuring readers gain hands-on experience in applying theoretical knowledge to solve complex problems in ML, DL, and big data analytics.
Simmering: Sufficient is better than optimal for training neural networks
Venue: arXiv cs.LG 2025
Year: 2025

The broad range of neural network training techniques that invoke optimization but rely on ad hoc modification for validity suggests that optimization-based training is misguided. Shortcomings of optimization-based training are brought to particularly strong relief by the problem of overfitting, where naive optimization produces spurious outcomes. The broad success of neural networks for modelling physical processes has prompted advances that are based on inverting the direction of investigation and treating neural networks as if they were physical systems in their own right. These successes raise the question of whether broader, physical perspectives could motivate the construction of improved training algorithms. Here, we introduce simmering, a physics-based method that trains neural networks to generate weights and biases that are merely ``good enough'', but which, paradoxically, outperforms leading optimization-based approaches. Using classification and regression examples we show that simmering corrects neural networks that are overfit by Adam, and show that simmering avoids overfitting if deployed from the outset. Our results question optimization as a paradigm for neural network training, and leverage information-geometric arguments to point to the existence of classes of sufficient training algorithms that do not take optimization as their starting point.
Cobblestone: A Divide-and-Conquer Approach for Automating Formal Verification
Venue: arXiv cs.LO 2025
Year: 2025

Formal verification using proof assistants, such as Coq, is an effective way of improving software quality, but requires significant effort and expertise. Machine learning can automatically synthesize proofs, but such tools are able to prove only a fraction of desired software properties. We introduce Cobblestone, a divide-and-conquer approach for proof synthesis. Cobblestone uses a large language model (LLM) to generate potential proofs, uses those proofs to break the problem into simpler parts, automatically identifies which of those parts were successfully proven, and iterates on the remaining parts to build a correct proof that is guaranteed to be sound, despite the reliance on unsound LLMs. We evaluate Cobblestone on four benchmarks of open-source Coq projects, controlling for training data leakage. Fully automatically, Cobblestone outperforms state-of-the-art non-LLM tools, and proves many theorems that other LLM-based tools cannot, and on many benchmarks, outperforms them. Each Cobblestone run costs only $1.25 and takes 14.7 minutes, on average. Cobblestone can also be used with external input, from a user or another tool, providing a proof structure or relevant lemmas. Evaluated with such an oracle, Cobblestone proves up to 58% of theorems. Overall, our research shows that tools can make use of partial progress and external input to more effectively automate formal verification.
Towards Robust Algorithms for Surgical Phase Recognition via Digital Twin Representation
Venue: arXiv cs.CV 2025
Year: 2025

Surgical phase recognition (SPR) is an integral component of surgical data science, enabling high-level surgical analysis. End-to-end trained neural networks that predict surgical phase directly from videos have shown excellent performance on benchmarks. However, these models struggle with robustness due to non-causal associations in the training set. Our goal is to improve model robustness to variations in the surgical videos by leveraging the digital twin (DT) paradigm -- an intermediary layer to separate high-level analysis (SPR) from low-level processing. As a proof of concept, we present a DT representation-based framework for SPR from videos. The framework employs vision foundation models with reliable low-level scene understanding to craft DT representation. We embed the DT representation in place of raw video inputs in the state-of-the-art SPR model. The framework is trained on the Cholec80 dataset and evaluated on out-of-distribution (OOD) and corrupted test samples. Contrary to the vulnerability of the baseline model, our framework demonstrates strong robustness on both OOD and corrupted samples, with a video-level accuracy of 80.3 on a highly corrupted Cholec80 test set, 67.9 on the challenging CRCD dataset, and 99.8 on an internal robotic surgery dataset, outperforming the baseline by 3.9, 16.8, and 90.9 respectively. We also find that using DT representation as an augmentation to the raw input can significantly improve model robustness. Our findings lend support to the thesis that DT representations are effective in enhancing model robustness. Future work will seek to improve the feature informativeness and incorporate interpretability for a more comprehensive framework.